UCSF

ZINC42225537

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 6.05 -7.29 0 2 0 27 208.33 6
Mid Mid (pH 6-8) 1.74 8.22 -44.38 1 2 1 28 209.338 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )